PhD Position in Molecular Thermodynamics Modeling for Energy Transition at ETH Zurich ETH Zurich in Switzerland

The Molecular Engineering Thermodynamics (MET) Group at ETH Zurich, led by Dr. Philipp Rehner, is seeking a PhD student to join their research on molecular thermodynamics modeling for the energy transition. The group focuses on developing and improving computational tools for the molecular-scale description of interfaces, with applications to nucleation phenomena and sustainable process design in chemical engineering.

This position is ideal for candidates with a Master's degree in chemical engineering, process engineering, mechanical engineering, energy science & technology, physical chemistry, or related fields. Applicants should have strong programming skills, preferably in Python, and experience with scientific software development. The research will involve the use of classical density functional theory and advanced computational methods, including automatic differentiation and machine learning frameworks, to model interfacial phenomena relevant to emerging technologies such as carbon capture, high-temperature heat pumps, and membrane separations.

The successful candidate will develop and implement models for the microscopic description of vapor-liquid and fluid-solid interfaces, quantify nucleation energies, and relate intermolecular interactions to macroscopic process phenomena. Responsibilities also include mentoring student projects, participating in group and institute activities, and disseminating research through publications and conferences.

ETH Zurich offers a dynamic, interdisciplinary research environment with access to state-of-the-art computational resources and a commitment to diversity, sustainability, and professional growth. The PhD position is fully funded according to ETH Zurich standards, with a start date as early as April 1, 2026. Application materials include a CV, motivational letter, transcript of records, and contact details of two references. The application deadline is January 31, 2026, and applications must be submitted through the ETH Zurich online portal. For further information, contact Dr. Philipp Rehner at [email protected] (no applications via email).

Keywords: molecular thermodynamics, chemical engineering, process engineering, energy transition, computational modeling, interfaces, density functional theory, nucleation, sustainability, machine learning.